SCHEMBL3144739

SCHEMBL3144739

O=C(CF)C(F)(F)C(=O)c1cccs1.O=C(CF)C(F)(F)C(=O)c1cccs1.O=C(CF)C(F)(F)C(=O)c1cccs1.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.40
GPBAR1 Q8TDU6 1/20 0.38
NR1H2 P55055 5/20 0.35
NR1H3 Q13133 5/20 0.35
PPARG P37231 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
DAO P14920 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CTNNB1 P35222 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
WNT3A P56704 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HTT P42858 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15303924 0.82 MAPT (0.43) TOP2AGPBAR1NR1H2NR1H3PPARG
SCHEMBL17022448 0.81 MAPT (0.44) TOP2AGPBAR1NR1H2NR1H3PPARG
Phenanthroline SCHEMBL3137738 0.80 KDM4E (0.46) SMN1; SMN2DAOALDH1A1CTNNB1HPGD
SCHEMBL6565661 0.79 DAO (0.48) SMN1; SMN2DAOALDH1A1CTNNB1WNT3A
Phenanthroline SCHEMBL3137852 0.78 KDM4E (0.42) SMN1; SMN2ALDH1A1CTNNB1HPGDMAPT
SCHEMBL538810 0.78 DAO (0.50) SMN1; SMN2DAOALDH1A1CTNNB1WNT3A
SCHEMBL9565986 0.76 DAO (0.48) SMN1; SMN2DAOALDH1A1CTNNB1WNT3A
Triphenylphosphine Oxide SCHEMBL15157249 0.73 SMN1; SMN2 (0.44) SMN1; SMN2DAOALDH1A1CTNNB1WNT3A
Bicarbonate SCHEMBL28398978 0.69 TOP2A (0.56) TOP2AKDM4EHTTRAB9A
Trifluoroacetic Acid SCHEMBL29736808 0.69 TOP2A (0.51) TOP2ANR1H2NR1H3PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642996-B2 Method of driving an organic electroluminescent device comprising a phosphorescent light emitter ISIS INNOVATION LIMITED (GB) 2010-01-05 US disclosed
US-20060152165-A1 Method of driving an electroluminescent device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2006-07-13 US disclosed
EP-1423838-A2 METHOD OF DRIVING AN ELECTROLUMINESCENT DEVICE Isis Innovation Limited (GB) 2004-06-02 EP disclosed
WO-2003021563-A2 METHOD OF DRIVING AN ELECTROLUMINESCENT DEVICE ISIS INNOVATION LIMITED (GB) 2003-03-13 WO disclosed